2 Calculations
The mole is the key concept for chemical calculations Avogadro's Number
There are 6.022 x 1023 atoms in
DEFINITION: The mole is the amount of substance in grams that has the same
12 grams of carbon-12.
number of particles as there are atoms in 12 grams of carbon-12.
Therefore explained in simpler
terms 'One mole of any specified
DEFINITION: Relative atomic mass is the average mass of one atom entity contains 6.022 x 1023 of
compared to one twelfth of the mass of one atom of carbon-12 that entity':
Unit of Mass: grams Unit of Pressure (P):Pa Note the Unit of concentration: mol dm-3 or M
Unit of moles : mol Unit of Volume (V): m3 different Unit of Volume: dm3
Unit of Temp (T): K unit for
n= moles volume
Remember the Mr must Converting volumes
be calculated and quoted R = 8.31
to 1dp Converting temperature cm3 dm3 1000
oC K add 273 cm3 m3 1000 000
dm3 m3 1000
Typical mole calculations
Some Simple calculations using above equations
Example 2: What is the concentration of solution made by
dissolving 5.00g of Na2CO3 in 250 cm3 water?
Example 1: What is the number of moles in 35.0g of
moles = mass/Mr
CuSO4?
= 5.00 / (23 x2 + 12 +16 x3)
moles = mass/Mr
= 0.0472 mol
= 35.0/ (63.5 + 32.0 +16.0 x4)
= 0.219 mol conc= moles/Volume
= 0.0472 / 0.25
= 0.189 mol dm-3
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Avogadro's Constant
Example 4 : How many atoms of Tin are Example 5 : How many chloride ions are there in a 25.0
there in a 6.00 g sample of Tin metal? cm3 of a solution of magnesium chloride of concentration
amount = mass/Ar 0.400 moldm-3 ?
= 6.00/ 118.7 amount= concentration x Volume
= 0.05055 mol MgCl2 = 0.400 x 0.025
Density
Example 6 : How many molecules of ethanol are there in a 0.500 dm3 of ethanol
(CH3CH2OH) liquid ? The density of ethanol is 0.789 g cm-3
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Empirical formulae
Definition: An empirical formula is the simplest ratio of atoms of each element in the compound.
General method
The same method can be
Step 1 : Divide each mass (or % mass) by the atomic mass of the element used for the following types
Step 2 : For each of the answers from step 1 divide by the smallest one of of data:
those numbers. 1. masses of each element
in the compound
Step 3: sometimes the numbers calculated in step 2 will need to be multiplied
up to give whole numbers. 2. percentage mass of each
element in the compound
These whole numbers will be the empirical formula.
Example 7 : Calculate the empirical formula for a compound that contains 1.82g of
K, 5.93g of I and 2.24g of O
Step1: Divide each mass by the atomic mass of the element to give moles
K = 1.82 / 39.1 I = 5.93/126.9 O = 2.24/16
= 0.0465 mol = 0.0467mol = 0.14mol
Step 2 For each of the answers from step 1 divide by the smallest one of those numbers.
K = 0.0465/0.0465 I = 0.0467/0.0465 O = 0.14 / 0.0465
=1 =1 =3
Definition: A molecular formula is the actual number of atoms of each element in the compound.
From the relative molecular mass (Mr) work out how many times
the mass of the empirical formula fits into the Mr.
Remember the Mr of a substance can be found
out from using a mass spectrometer. The
Example 8 : work out the molecular formula for the
molecular ion ( the peak with highest m/z) will
compound with an empirical formula of C3H6O and
be equal to the Mr.
a Mr of 116
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Converting quantities between different substances using a balanced equation Typically we are given a quantity of
one substance and are asked to
N2 + 3H2 2NH3 work out a quantity for another
substance in the reaction. Any of
The balancing (stoichiometric) numbers are mole ratios
the above three equations can be
e.g. 1 mole of N2 reacts with 3 moles of H2 to produce 2moles of NH3 used.
Step 3
Step 1:
Convert moles of second substance
Use one of the above 3 equations to Step 2:
into quantity question asked for
convert any given quantity into moles Use balanced equation to convert
using relevant equation
Mass moles moles of initial substance into
e.g. Moles ,Mr mass
PVT of gas moles moles of second substance
Mole, P, T gas vol gas
Conc and vol of solution moles
Moles, vol solution conc
Example 9: What mass of Carbon dioxide would be produced Example 10: 23.6cm3 of H2SO4 neutralised 25.0cm3 of 0.150M
from heating 5.50 g of sodium hydrogencarbonate? NaOH. What is the concentration of the H2SO4?
2NaHCO3 Na2CO3 + CO2 + H2O H2SO4 + 2NaOH Na2SO4 +2H2O
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Example 13: What is the total volume of gas produced in Common Reaction Equations
dm3 at 333K and 100kPa when 0.651 g of magnesium
CH3CO2H + NaOH CH3CO2-Na+ + H2O
nitrate decomposes when heated?
2Mg (NO3)2 (s) 2 MgO (s) + 4NO2 (g) + O2 (g) H2SO4 + 2NaOH Na2SO4 +2H2O
Step 1: work out moles of magnesium nitrate HCl + NaOH NaCl +H2O
Moles = mass / Mr NaHCO3 + HCl NaCl + CO2 + H2O
= 0.651 / 148.3
= 0.00439 mol Na2CO3 + 2HCl 2NaCl + CO2 + H2O
Step 2: use balanced equation to give moles of gas produced CaCO3 + 2HCl CaCl2 + CO2 + H2O
2 moles Mg (NO3)2 : 4NO2 (g) + O2 (g) ie 5moles of gas
So 0.00439 Mg (NO3)2 : 0.01098( 0.00439 x 5/2) moles gas
Volume = nRT/P
= (0.01098 x 8.31 x 333 )/ 100000
= 0.000304m3
= 0.303dm3
Other calculations
% Yield and % Atom economy
Example 14: What is the % atom economy for the following reaction where Fe is
the desired product assuming the reaction goes to completion? Do take into account
balancing numbers
Fe2O3 + 3CO 2Fe + 3 CO2
when working out %
% atom economy = (2 x 55.8) atom economy.
x 100
(2 x 55.8 + 3x16) + 3 x (12+16)
=45.8%
Example 15: 25.0g of Fe2O3 was reacted and it produced 10.0g of Fe. What is the
percentage yield?
Fe2O3 + 3CO 2Fe + 3 CO2
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Reacting Volumes of Gas
Equal volumes of any gases measured under the same 1 mole of any gas at room
conditions of temperature and pressure contain equal pressure (1atm) and room
numbers of molecules (or atoms if the gas in monatomic) temperature 25oC will have the
volume of 24dm3
Volumes of gases reacting in a balanced equation
can be calculated by simple ratio
Example 16 If one burnt 500 cm3 of methane at 1atm and 300K what volume of
Oxygen would be needed and what volume of CO2 would be given off under the
same conditions?
CH4(g) + 2 O2(g) CO2(g) + 2 H2O(l)
1 mole 2 mole 1 mole
Simply multiply
gas volume x2
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Experiments
Safety and hazards
Irritant - dilute acid and alkalis- wear googles Hazardous substances in low
Corrosive- stronger acids and alkalis wear goggles concentrations or amounts
Flammable keep away from naked flames will not pose the same risks
Toxic wear gloves- avoid skin contact- wash hands after use as the pure substance.
Oxidising- Keep away from flammable / easily oxidised materials
Heating in a crucible
This method could be used for measuring mass loss in various
thermal decomposition reactions and also for mass gain when
reacting magnesium in oxygen.
Example 18. 3.51 g of hydrated zinc sulphate were heated and 1.97 g
of anhydrous zinc sulphate were obtained.
Use these data to calculate the value of the integer x in ZnSO4.xH2O
= 0.0122 =0.085
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Using a gas syringe
Gas syringes can be used for a variety of experiments where the volume of a gas is measured, possibly to
work out moles of gas or to follow reaction rates.
The volume of a gas depends on pressure Make sure you dont leave
and temperature so when recording volume gaps in your diagram where
it is important to note down the temperature gas could escape
and pressure of the room.
Example 19: 0.150g of a volatile liquid was injected into a sealed gas syringe. The gas syringe was placed in
an oven at 70oC at a pressure of 100kPa and a volume of 80cm3 was measured. What is the Mr of the
volatile liquid ? (R = 8.31)
100 kPa = 100 000 Pa
moles = PV/RT
80 cm3 = 0.00008 m3
= 100 000 x 0.00008 / (8.31 x 343)
= 0.00281 mol
Mr = mass/moles
= 0.15 / 0.00281
= 53.4 g mol-1
Making a solution
Weigh the sample bottle containing the required mass of
solid on a 2 dp balance Alternatively the known mass of
Transfer to beaker and reweigh sample bottle solid in the weighing bottle could be
Record the difference in mass transferred to beaker, washed and
washings added to the beaker.
Add 100cm3 of distilled water to the beaker. Use a glass
rod to stir to help dissolve the solid.
Pour solution into a 250cm3 graduated flask via a funnel. Remember to fill so the bottom of the
Rinse beaker and funnel and add washings from the meniscus sits on the line on the neck of
beaker and glass rod to the volumetric flask. the flask. With dark liquids like potassium
make up to the mark with distilled water using a dropping manganate it can be difficult to see the
pipette for last few drops. meniscus.
Invert flask several times to ensure uniform solution.
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Titrations
Safety precautions
The method for carrying out the titration
Acids and alkalis are corrosive
rinse equipment (burette with acid, pipette with alkali, conical
(at low concentrations acids are
flask with distilled water)
irritants)
pipette 25 cm3 of alkali into conical flask
Wear eye protection and gloves
touch surface of alkali with pipette ( to ensure correct amount
If spilled immediately wash affected
is added)
parts after spillage
adds acid solution from burette
make sure the jet space in the burette is filled with acid
If substance is unknown treat it as
add a few drops of indicator and refer to colour change at end
potentially toxic and wear gloves.
point
phenolphthalein [pink (alkali) to colourless (acid): end point pink
colour just disappears] [use if NaOH is used] If the jet space is not filled properly
methyl orange [yellow (alkali) to red (acid): end point orange] prior to commencing the titration it will
[use if HCl is used] lead to errors if it then fills during the
use a white tile underneath the flask to help observe the colour titration, leading to a larger than
change expected titre reading.
add acid to alkali whilst swirling the mixture and add acid
dropwise at end point A conical flask is used in preference to
note burette reading before and after addition of acid a beaker because it is easier to swirl
repeats titration until at least 2 concordant results are the mixture in a conical flask without
obtained- two readings within 0.1 of each other spilling the contents.
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Uncertainty
Readings and Measurements
Calculate the percentage error for each piece of equipment used by Uncertainty of a measurement using
a burette. If the burette used in the
% uncertainty = uncertainty x 100 titration had an uncertainty for each
Measurement made on apparatus reading of +/ 0.05 cm3 then during a
titration two readings would be taken
e.g. for burette so the uncertainty on the titre volume
% uncertainty = 0.15/average titre result x100 would be +/ 0.10 cm3 . Then often
another 0.05 is added on because of
To calculate the maximum percentage apparatus uncertainty in the uncertainty identifying the end point
final result add all the individual equipment uncertainties together. colour change
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